Glycoside
GD139862
Name:
6-(4,5-dihydroxy-6-methyloxan-2-yl)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C28H32O14Smiles:
COc1cc(-c2cc(=O)c3c(O)c(C4CC(O)C(O)C(C)O4)c(OC4OC(CO)C(O)C(O)C4O)cc3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)c(C4CC(O)C(O)C(C)O4)c(O)cc3o2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD56407
Formula: C22H22O9
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(C4CC(O)C(O)C(C)O4)c(O)cc3o2)ccc1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
